Compound Detail
CHEMBL1076355
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C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CO1
Basic Information
| ChEMBL ID | CHEMBL1076355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKDLANDMNIFZOI-IJMQKCTASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
302.5
MW (Da)
4.08
ALogP
2
HBA
1
HBD
32.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.4
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.04 | nM | 10.4 | Displacement of [3H]DHEA from DHEA-binding site in rat PC12 cell membranes by ga... | 19845386 |
| PC-12 | IC50 | = | 0.19 | nM | 9.72 | Neuroprotective activity in rat PC12 cells assessed as inhibition of serum depri... | 19845386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19845386 | 10.1021/jm900468p | PC-12 | 8 |
| 19845386 | 10.1021/jm900468p | Estrogen receptor | 4 |
| 19845386 | 10.1021/jm900468p | Estrogen receptor beta | 2 |
| 19845386 | 10.1021/jm900468p | Unchecked | 1 |
| 19845386 | 10.1021/jm900468p | MCF7 | 1 |
| 19845386 | 10.1021/jm900468p | Ishikawa | 1 |
| 19845386 | 10.1021/jm900468p | LNCaP | 1 |
| 19845386 | 10.1021/jm900468p | HEK293 | 1 |
| 19845386 | 10.1021/jm900468p | ADMET | 1 |
| 22506561 | 10.1021/jm300317k | Glucose-6-phosphate 1-dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine